1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane

C32H36FN5O2S — CID 144846985

IUPAC1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane
SMILESCCC.Cc1ncc(CCc2cc(F)cc(Oc3ccc(-c4nc(C5CCOCC5)n5ccnc(N)c45)cc3)c2)s1
InChIInChI=1S/C29H28FN5O2S.C3H8/c1-18-33-17-25(38-18)7-2-19-14-22(30)16-24(15-19)37-23-5-3-20(4-6-23)26-27-28(31)32-10-11-35(27)29(34-26)21-8-12-36-13-9-21;1-3-2/h3-6,10-11,14-17,21H,2,7-9,12-13H2,1H3,(H2,31,32);3H2,1-2H3
InChIKeyMAMYNZFZBXHYQD-UHFFFAOYSA-N
MW573.74 g/mol
LogP7.77
Rot. Bonds7

About 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane

1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane (PubChem CID 144846985) has the molecular formula C32H36FN5O2S and a molecular weight of 573.74 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane
PubChem CID144846985
Molecular FormulaC32H36FN5O2S
Molecular Weight573.74 g/mol
Exact Mass573.26
IUPAC Name1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane
SMILESCCC.Cc1ncc(CCc2cc(F)cc(Oc3ccc(-c4nc(C5CCOCC5)n5ccnc(N)c45)cc3)c2)s1
InChIInChI=1S/C29H28FN5O2S.C3H8/c1-18-33-17-25(38-18)7-2-19-14-22(30)16-24(15-19)37-23-5-3-20(4-6-23)26-27-28(31)32-10-11-35(27)29(34-26)21-8-12-36-13-9-21;1-3-2/h3-6,10-11,14-17,21H,2,7-9,12-13H2,1H3,(H2,31,32);3H2,1-2H3
InChIKeyMAMYNZFZBXHYQD-UHFFFAOYSA-N
XLogP7.77
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane?
The IUPAC name of 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane (CID 144846985) is 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane.
What is the SMILES notation for 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane?
The canonical SMILES for 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane is CCC.Cc1ncc(CCc2cc(F)cc(Oc3ccc(-c4nc(C5CCOCC5)n5ccnc(N)c45)cc3)c2)s1.
What is the InChIKey of 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane?
The InChIKey is MAMYNZFZBXHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O2S.C3H8/c1-18-33-17-25(38-18)7-2-19-14-22(30)16-24(15-19)37-23-5-3-20(4-6-23)26-27-28(31)32-10-11-35(27)29(34-26)21-8-12-36-13-9-21;1-3-2/h3-6,10-11,14-17,21H,2,7-9,12-13H2,1H3,(H2,31,32);3H2,1-2H3.
What are the key properties of 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane?
1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane has a molecular weight of 573.74 g/mol, XLogP of 7.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]phenoxy]phenyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-amine;propane is sourced from PubChem (CID 144846985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).